1-N,1-N-di(propan-2-yl)butane-1,3-diamine

C10H24N2 — CID 57236538

IUPAC1-N,1-N-di(propan-2-yl)butane-1,3-diamine
SMILESCC(N)CCN(C(C)C)C(C)C
InChIInChI=1S/C10H24N2/c1-8(2)12(9(3)4)7-6-10(5)11/h8-10H,6-7,11H2,1-5H3
InChIKeyOHVVGFAWEGHZPC-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.84
Rot. Bonds5

About 1-N,1-N-di(propan-2-yl)butane-1,3-diamine

1-N,1-N-di(propan-2-yl)butane-1,3-diamine (PubChem CID 57236538) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 1-N,1-N-di(propan-2-yl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-di(propan-2-yl)butane-1,3-diamine
PubChem CID57236538
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name1-N,1-N-di(propan-2-yl)butane-1,3-diamine
SMILESCC(N)CCN(C(C)C)C(C)C
InChIInChI=1S/C10H24N2/c1-8(2)12(9(3)4)7-6-10(5)11/h8-10H,6-7,11H2,1-5H3
InChIKeyOHVVGFAWEGHZPC-UHFFFAOYSA-N
XLogP1.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-di(propan-2-yl)butane-1,3-diamine?
The IUPAC name of 1-N,1-N-di(propan-2-yl)butane-1,3-diamine (CID 57236538) is 1-N,1-N-di(propan-2-yl)butane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-di(propan-2-yl)butane-1,3-diamine?
The canonical SMILES for 1-N,1-N-di(propan-2-yl)butane-1,3-diamine is CC(N)CCN(C(C)C)C(C)C.
What is the InChIKey of 1-N,1-N-di(propan-2-yl)butane-1,3-diamine?
The InChIKey is OHVVGFAWEGHZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-8(2)12(9(3)4)7-6-10(5)11/h8-10H,6-7,11H2,1-5H3.
What are the key properties of 1-N,1-N-di(propan-2-yl)butane-1,3-diamine?
1-N,1-N-di(propan-2-yl)butane-1,3-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-di(propan-2-yl)butane-1,3-diamine is sourced from PubChem (CID 57236538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).